Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50041105   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404855 (CHEMBL158007) Show SMILES CCCCCCCCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404852 (CHEMBL345675) Show SMILES CCCCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404854 (CHEMBL155867) Show SMILES CCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404851 (CHEMBL156439) Show SMILES CCc1nc2cc(C)c(C)cc2[nH]1 Show InChI InChI=1S/C11H14N2/c1-4-11-12-9-5-7(2)8(3)6-10(9)13-11/h5-6H,4H2,1-3H3,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404856 (CHEMBL156134) Show SMILES Cc1nc2cc(C)c(C)cc2[nH]1 Show InChI InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404849 (CHEMBL348508) Show SMILES CCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM50404858 (CHEMBL351569) Show SMILES CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) Show SMILES c1nc2ccccc2[nH]1 Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair